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We present Kohn-Sham and hybrid density functional theory calculations on the hydrogen and nitrogen molecules using the Gaussian function exchange energy expression KG derived by Ghosh and Parr. We compare the potential energy surfaces, equilibrium bond lengths, and exchange energies obtained by using KG and related models with those predicted from Hartree-Fock theory and the local density approximation to the exchange. Such functionals do not appear to offer promising alternative starting points to the Dirac uniform electron gas exchange functional.

Comparison of the Gaussian and Bessel Function Exchange Functionals with the Hartree-Fock Exchange for Molecules